(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid

C10H14N4O3 — CID 81120212

IUPAC(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O3/c15-9(16)7-2-1-3-14(6-7)10(17)13-8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H,11,12)(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyZFIQBTSLRGEFGV-SSDOTTSWSA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds2

About (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120212) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120212
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O3/c15-9(16)7-2-1-3-14(6-7)10(17)13-8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H,11,12)(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyZFIQBTSLRGEFGV-SSDOTTSWSA-N
XLogP0.74
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52858730
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
CID 126841029
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81120212) is (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZFIQBTSLRGEFGV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(16)7-2-1-3-14(6-7)10(17)13-8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H,11,12)(H,13,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).